CID 14660484

C5H11BO — CID 14660484

IUPAC—
SMILESC1CCOC1.[B]C
InChIInChI=1S/C4H8O.CH3B/c1-2-4-5-3-1;1-2/h1-4H2;1H3
InChIKeyCAUQLJQQSNDTFY-UHFFFAOYSA-N
MW97.95 g/mol
LogP1.00
Rot. Bonds

About CID 14660484

CID 14660484 (PubChem CID 14660484) has the molecular formula C5H11BO and a molecular weight of 97.95 g/mol.

Molecular Properties

Compound NameCID 14660484
PubChem CID14660484
Molecular FormulaC5H11BO
Molecular Weight97.95 g/mol
Exact Mass98.09
IUPAC Name—
SMILESC1CCOC1.[B]C
InChIInChI=1S/C4H8O.CH3B/c1-2-4-5-3-1;1-2/h1-4H2;1H3
InChIKeyCAUQLJQQSNDTFY-UHFFFAOYSA-N
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.95
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14660484?
The IUPAC name of CID 14660484 (CID 14660484) is not available.
What is the SMILES notation for CID 14660484?
The canonical SMILES for CID 14660484 is C1CCOC1.[B]C.
What is the InChIKey of CID 14660484?
The InChIKey is CAUQLJQQSNDTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH3B/c1-2-4-5-3-1;1-2/h1-4H2;1H3.
What are the key properties of CID 14660484?
CID 14660484 has a molecular weight of 97.95 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14660484 is sourced from PubChem (CID 14660484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).